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Chemical ID: 4475937
Chemical ID:
4475937
Name [?]:
N-[4-(cyanomethyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1CC#N)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C15H18N2O/c16-11-10-12-6-8-14(9-7-12)17-15(18)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,1,5,2,4,7,8,6,13,3,11,9,10,12/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s3;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65678 |
Area: | 451.356 |
Solvation: | -2.62712 |
Coulombic: | -23.4515 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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